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ethanone, 1-(4-fluorophenyl)-2-[[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID HUHyfbyjhdP
InChI InChI=1S/C22H17FN4OS/c23-17-13-11-16(12-14-17)20(28)15-29-22-26-25-21(24-18-7-3-1-4-8-18)27(22)19-9-5-2-6-10-19/h1-14H,15H2,(H,24,25)
InChIKey YDHOWUWBODKCPW-UHFFFAOYSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H17FN4OS
Exact Mass 404.110711 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CD6mHCDv54F
Name ethanone, 1-(4-fluorophenyl)-2-[[4-phenyl-5-(phenylamino)-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.110710519 u
Formula C22H17FN4OS
InChI InChI=1S/C22H17FN4OS/c23-17-13-11-16(12-14-17)20(28)15-29-22-26-25-21(24-18-7-3-1-4-8-18)27(22)19-9-5-2-6-10-19/h1-14H,15H2,(H,24,25)
InChIKey YDHOWUWBODKCPW-UHFFFAOYSA-N
Molecular Weight 404.463 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17296
Solvent DMSO-d6
Source Vendor ID: NMR/10311328; Lab Info: LP; Lab Number: LP-2101622